1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine

C15H31N3O2 — CID 110958357

IUPAC1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
SMILESC/N=C(\NCCCCOCCOC)NC1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-16-15(18-14-8-4-3-5-9-14)17-10-6-7-11-20-13-12-19-2/h14H,3-13H2,1-2H3,(H2,16,17,18)
InChIKeyPDNXSDDCCIPEQY-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.93
Rot. Bonds9

About 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine

1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine (PubChem CID 110958357) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
PubChem CID110958357
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
SMILESC/N=C(\NCCCCOCCOC)NC1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-16-15(18-14-8-4-3-5-9-14)17-10-6-7-11-20-13-12-19-2/h14H,3-13H2,1-2H3,(H2,16,17,18)
InChIKeyPDNXSDDCCIPEQY-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
CID 111493156
1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111768729
1-(3-cyclopentylpropyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine;hydroiodide
CID 111947232
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019565
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-propan-2-ylguanidine
CID 111126129
1-(4-ethoxybutyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111946295
1-(3-cyclopentylpropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404127
1-cyclohexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110957463
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine (CID 110958357) is 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine is C/N=C(\NCCCCOCCOC)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine?
The InChIKey is PDNXSDDCCIPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-16-15(18-14-8-4-3-5-9-14)17-10-6-7-11-20-13-12-19-2/h14H,3-13H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine?
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine has a molecular weight of 285.43 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine is sourced from PubChem (CID 110958357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).